Re: [Jmol-developers] considering updating GAMESSUS reader...how should I handle two kinds of partial charges?

2009-03-25 Thread Angel Herraez
I am not used to this format, but I think a good (easy?) solution would be to have the choice at load time. Looking at the "load" documentation, maybe the "FILTER" switch could be used for this. It says "The FILTER parameter specifies file-type specific load options." So one could choose to load

Re: [Jmol-developers] angle measurements seems to have broken in 11.6.18...

2009-03-10 Thread Angel Herraez
Jonathan Gutow wrote: > I think the solution is that we need to have buttons for angle > measurements as well and we need to fix the shading of the icons > behavior. Remeber that the icons for the buttons exist already, they only have to be implemented. --

Re: [Jmol-developers] JMol applets dying at random

2009-03-06 Thread Angel Herraez
Hi Randy > I tried to search the archives about this, but the archive page > doesn't work - sorry if this is well-known. The mail archive at SF is at best slow, but there are several mirrors around where you can also search. The Wiki page has a link to at least one of them. I agree with wha

Re: [Jmol-developers] [ jmol-Bugs-2638895 ] measuring angles

2009-02-26 Thread Angel Herraez
When I designed the new toolbar look (11.6), I prepared 3 icons for measuring distance, angle and dihedral (following Bob's suggestion), but then realized that the system is not supporting them. Maybe it's time to include the three in the toolbar. There is also an issue: both the measurements ic

Re: [Jmol-developers] hiding nodes (Re: Merging model sets)

2009-02-18 Thread Angel Herraez
Hello Mark I cannot help you on the Java side, but your comment on scripted action do have an easy solution: > I should mention I did at first try the hide/show in the scripts. But > they were absolute and thus awkward for my purposes. So I couldnt just > say hide node 3 without having all the

Re: [Jmol-developers] Loading custom menus [was (no subject)]

2009-02-12 Thread Angel Herraez
Hello Jeroen > Even when loading the default menu (dumped with the 'write menu' > script), this exception occurs. I've tried using different versions > (11.7.25, 11.6.15, 11.4.6, even 11.2.14). There has been a bug across several later versions. This was found recently and fixed in 11.6.13 an

Re: [Jmol-developers] Jmol -- next project -- structural comparison/manipulation?

2009-02-02 Thread Angel Herraez
Interesting, Bob This suggests me some promising possibilities. Could your implementation be used for them, probably using some scripting? a) Moving a subset of the model. For example, moving a ligand out of its binding site, to coarsely simulate the unbound or approaching states. Or just a be

Re: [Jmol-developers] Jmol - labels in VRML?

2009-01-19 Thread Angel Herraez
El 18 Jan 2009 a las 21:51, Robert Hanson escribió: > comments: > > -- camera angle is not correct. I had realized that the orientation was different. Don't know anything about that, but it is as it was in the first exporter. I will study the vrml doc to see if I can find the proper way. I sus

Re: [Jmol-developers] Jmol - labels in VRML?

2009-01-16 Thread Angel Herraez
You're right, Rolf. Thanks for reminding that article. The process they use in that paper is: pdb -> [PyMOL] -> vrml -> [Adobe Acrobat 3D toolkit] -> u3d -> [Adobe Acrobat 3D] -> TIFF screenshots -> [Adobe Photoshop] -> edited screenshots -> [Adobe Illustrator] -> jpeg Then, u3d + jpeg -> [Adob

Re: [Jmol-developers] Localisation

2009-01-16 Thread Angel Herraez
Hi Stefan As you see, I'm on this Jmol side too :) ...more than in JCP. Being Java-dumb, I'm not sure of the precise technical details, but I will try to give a clue; others can help you more. This may be of general help: http://wiki.jmol.org:81/index.php/Internationalisation#Translating_the _

Re: [Jmol-developers] Jmol - labels in VRML?

2009-01-15 Thread Angel Herraez
> There are two mechanisms for text rendering, one "simple" and one more > complex. The issues you are going to run into include such > technicalities as wrapped lines, centered text, vertical and > horizontal offsets, and the boxes. Yes, the full range of possibilities is quite complicated. I was

Re: [Jmol-developers] Jmol - labels in VRML?

2009-01-15 Thread Angel Herraez
After some more thought... Getting the 3D coordinates of the text so that they can be passed to the vrml code will indeed be the best solution, as it will open the way to not only labels, but echo (with z=0?), 3D echo and measures. I cannot manage to get hold of the Java involved in rendering (

[Jmol-developers] Jmol - labels in VRML?

2009-01-14 Thread Angel Herraez
(I'm moving this discussion with Bob onto jmol-developers in case others want to give their opinion) Background: I'm trying to add some features to the VRML exporter. Even I being a novice in VRML, I've found that a few things can be done easily enough. Translucency is already in, for atoms, b

[Jmol-developers] bug in minimize 11.7.20

2009-01-08 Thread Angel Herraez
11.7.20 app pop-up > Minimize does nothing and raises an error in the Jmol Java Console: openFile(C:/Documents and Settings/Angel/Escritorio/pru.mol): 281 ms ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false 1 model in this collection. Use getProperty "modelInfo" or

[Jmol-developers] bug in save/write from pop-up menu

2009-01-08 Thread Angel Herraez
This finding was prompted by Marko Reza's recent post to jmol-users and it looks like a bug. Tested in 11.7.20 app: I load a model, then pop-up, Save, State: ERROR en guión: java.io.FileNotFoundException: C:\Archivos de programa\moleculas\Jmol\beta\?ado.spt (El nombre de archivo, directorio o

[Jmol-developers] inactivate "Javascript" in Jmol scripting

2008-12-09 Thread Angel Herraez
Bob, in several posts dealing with the use of JmolMediaWiki Extension -- and its prospective adoption by Wikipedia-- we have being dicussing the convenience of having a way to inactivate the "javascript" command in Jmol scripting. That would avoid any misuse of the extension to introduce arbi

Re: [Jmol-developers] Bad translation quality

2008-12-05 Thread Angel Herraez
The phrases can be marked as "fuzzy" in the PO file, so the English terms will be used by Jmol --until they are again marked as correct. -- SF.Net email is Sponsored by MIX09, March 18-20, 2009 in Las Vegas, Nevada. The

Re: [Jmol-developers] [Jmol-users] Scripting documentation mirror

2008-11-13 Thread Angel Herraez
El 13 Nov 2008 a las 16:46, Rolf Huehne escribió: > Interestingly these examples do work from the primary site at St'Olaf on > the same system. That may be due to the different version. The files at SF are older than those at St Olaf, something may have changed. Or some files are missing. If I

Re: [Jmol-developers] [ jmol-Bugs-2250963 ] minimize broken in 11.6.3 applet

2008-11-10 Thread Angel Herraez
El 10 Nov 2008 a las 6:24, Robert Hanson escribió: > Something you don't like about that? Oh, I rather love it! But don't think it is the most logical place to put it... I though it was overwriting some other entry. Now I checked out older versions and see there was nothing there, before that f

Re: [Jmol-developers] [ jmol-Bugs-2250963 ] minimize broken in 11.6.3 applet

2008-11-10 Thread Angel Herraez
The minimize is working again in 11.6.4 - Thanks, Bob! But I see a funny thing which I guess has some relation to this "fix": Both app and applet, the topmost entry in the pop-up menu shows the molecule name, but the first submenu entry says "Minimize" and indeed it runs minimization! Same in

[Jmol-developers] realculating bonds in "load trajectory"

2008-10-20 Thread Angel Herraez
Hi If I have understood it correctly, and my testing suggests so, loading several models with the TRAJECTORY keyword makes a single set of atoms and bonds, where only coordinates change along frames. Therefore, bonding is not recalculated when playing the animation. However, I read that cartoon

Re: [Jmol-developers] en_GB translation ?

2008-10-06 Thread Angel Herraez
> But browsing that list is more difficult then for finding your > language of choice... Why do you think that, Egon? All except one would be strange language names... You pick the one you understand - This SF.Net email

Re: [Jmol-developers] en_GB translation ?

2008-10-06 Thread Angel Herraez
Yes, I see the increased size of the applet as an important issue. I had already thought of that before, but was sure we have to sacrifice for the usefulneess of localizations. > also -- this introduces a need for translations of "English - United > Kingdom" in every translation. Is the plan t

Re: [Jmol-developers] [Jmol-users] Jmol 11.6 last days before release

2008-09-29 Thread Angel Herraez
> I just added support for Amber molecular dynamics file loading -- > 1(topology file) + n(coordinate file) and with the FILTER option and > a new option to allow selective "first,last,step" loading of > coordinate trajectories, Jmol should be significantly useful in that > area. That's in 11.7

[Jmol-developers] jmol.org domain is broken

2008-09-11 Thread Angel Herraez
Both http://jmol.org/ http://www.jmol.org/ are broken; they show an Apache info page wiki.jmol.org is working, though - This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux ba

Re: [Jmol-developers] location of toolbar button images

2008-07-29 Thread Angel Herraez
That has worked, Nico. Thanks! Nico wrote: > In org.openscience.jmol.app.Jmol.java, try replacing the line n° 1173: > JMenu menu = guimap.newJMenu(key); > by the following lines : > JMenu menu = guimap.newJMenu(key); > ImageIcon f = > JmolResourceHandler.getIconX(key + "Image"); > if (f != nu

Re: [Jmol-developers] Do I need to maintain backwards compatibility of the JmolPopin.js code?

2008-07-21 Thread Angel Herraez
> Dear all: > I've thought of a way of making the javascript for the export to web > functions more flexible. Since we always save this script with > the .html, .spt, etc... used to make the page, I don't think I have > to maintain backwards compatibility, do I? I don't think so. Th

[Jmol-developers] bug in isosurface functionXY or in the example page

2008-07-02 Thread Angel Herraez
I am investigating how to plot a mathematical function using isosurface functionXY . I went to the page http://chemapps.stolaf.edu/jmol/docs/examples-11/isosurface.htm section #14, and the first red link gives an error: (Jmol 11.5.44) isosurface functionXY "curveAsArrayXY" {-5 -5 -5} {-11 1 0 0}

[Jmol-developers] sidechain Hbonds, ligand-protein interactions

2008-06-04 Thread Angel Herraez
Dear developers: I have set contact with Walter F. de Azevedo, Jr. (Pontificia Universidade Católica do Rio Grande do Sul, Porto Alegre, Brazil), who has developed an algorithm for finding hydrogen bonds between proteins and ligands. Apparently, this algorithm may also be used for protein-prot

Re: [Jmol-developers] Creating Bond between two models

2008-05-12 Thread Angel Herraez
Hi JIJI I'm not sure if you can create bonds between models, but if so, it would be like this: If you load them in that order, 1prg will be model 1 and 4hhb would be model 2; so: connect ([SER]123:A.O1/1) ([PRO]34:B.CB/2) (assuming that O1 and CB would be the atom IDs you want to bond) or c

Re: [Jmol-developers] JSF_dynamic_load

2008-04-07 Thread Angel Herraez
El 7 Apr 2008 a las 14:11, Andreas escribió: > this was the new code: > > > jmolInitialize("Jmol"); > jmolApplet(500, "load " +"${Page3_protein.valueForJmol}"); > Maybe there's no difference, but I meant the second part without quotes: jmolApplet(500, "load " + ${Page3_protein.valueForJmol});

Re: [Jmol-developers] minimization

2008-04-07 Thread Angel Herraez
El 7 Apr 2008 a las 12:28, Rolf Huehne escribió: > > CTRL + Left mouse drag action add a atom ( a Carbon) > > This only opened up the Jmol popup menu. In Windows, Ctrl-click opens the menu, but Ctrl-drag adds atoms. Just hold the mouse button.

Re: [Jmol-developers] JSF_dynamic_load

2008-04-07 Thread Angel Herraez
Hi Andreas I've got no experience with your scripting languages, but try this: jmolInitialize("Jmol"); jmolApplet(500, "load " + ${Page3_protein.valueForJmol()} ); Thta way, the dynamic value will be evaluated first and then passed to Jmol.js to build the applet. --

Re: [Jmol-developers] minimization

2008-04-04 Thread Angel Herraez
Bob Hanson wrote: > that's next. I have an idea but no time to work on it. It would involve > the MOL2 format bond stereochemistry designations. I can't find anything about stereochemistry in the MOL2 specs, but MOL has "up", "down", "none" and "nonspecified" bond types (and JChemPaint exports

Re: [Jmol-developers] Jmol 11.5.21 -- MINIMIZATION

2008-03-28 Thread Angel Herraez
It seems that the problem are the double bonds. Cholesterol is done very nicely! I've set up a test page at http://biomodel.uah.es/Jmol/minimize/minimize.htm - Check out the new SourceForge.net Marketplace. It's the best p

Re: [Jmol-developers] Jmol 11.5.21 -- MINIMIZATION

2008-03-28 Thread Angel Herraez
This is the Java console: FileManager opening F:/webs/_Proyectos/_pruebas/Jmol/Jmol- minimize/thyroxine.cml FileManager.openFile(F:/webs/_Proyectos/_pruebas/Jmol/Jmol- minimize/thyroxine.cml) //F:/webs/_Proyectos/_pruebas/Jmol/Jmol- minimize/thyroxine.cml FileManager opening F:\webs\_Proyectos\_p

Re: [Jmol-developers] Color different pdb file with different color

2008-03-26 Thread Angel Herraez
Hi Jiji It all depends on how you apply the color to the 2nd model. If you are doing "select all", that will select the first model too. You must do select 1.0 color red select 2.0 color white frame all (check the documentation on atom expressions at htt

Re: [Jmol-developers] Jmol-developers Digest, Vol 22, Issue 10

2008-03-17 Thread Angel Herraez
El 17 Mar 2008 a las 9:55, »»»JIJI«««.: escribió: > i want to show only the base name > ex: if i upload file programmatically "viewer/1prg.pdb" then in the > viewer also it is coming "viewer/1prg.pdb" like this. > > I want the name as 1prg.pdb Hi Jiji That will be hard

Re: [Jmol-developers] Jmol attends "Molecular Modelling: Tools, GUIs and Visualisation"

2008-03-07 Thread Angel Herraez
Hi all My talk is scheduled for Wednesday morning. You can have a peek at http://biomodel.uah.es/personal/2008/UK/ Hints welcome - This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual

[Jmol-developers] Jmol attends "Molecular Modelling: Tools, GUIs and Visualisation"

2008-03-04 Thread Angel Herraez
Dear developers: I'd like to let you know that next week I will be participating --as a Jmol representative ;-) -- in "Molecular Modelling: Tools, GUIs and Visualisation" a CCP1 meeting looking at graphical interfaces, visualisation and general tools for molecular modelling in general, but wit

Re: [Jmol-developers] testing please -- set fontScaling TRUE/FALSE

2008-02-06 Thread Angel Herraez
Bob wrote: > Angel Herráez wrote: [...] > >That is, "serif", "monospaced", "italic", "bold" all have no effect; all I > >can get is sansSerif > >plain. The size can be set OK.. > > > > > Hmm. This all worked fine for me: It's working for me now too. Must have been some temporary failure (or

[Jmol-developers] calculate structure => no color structure

2008-01-29 Thread Angel Herraez
After "calculate structure" with a protein, there is no effect of "color structure", everything is carbon grey. Is this a bug? 11.4.RC2 - This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual

Re: [Jmol-developers] writing console content to a file in applet

2008-01-22 Thread Angel Herraez
Hello JIJI You would be better sending these questions to the jmol-users list instead of the developers list. Regarding your question, I think it may be done using "write history" http://chemapps.stolaf.edu/jmol/docs/?ver=11.4#write

Re: [Jmol-developers] Saving state while upload Multiple model

2008-01-21 Thread Angel Herraez
Hello JIJI > if i upload one model and change the state to cartoon, then after > that if i append another model then the previous upload model is > displays in old state. I don't see that using the application, and it should not happen in theory. > So, is their any option to save the state of

Re: [Jmol-developers] (Fwd) Re: Jmol Handbook

2008-01-18 Thread Angel Herraez
Egon wrote: > Yeah, I was thinking about it earlier... these things tend to be a bit > tricky... because one could wonder where this will end... Moreover, SF > does not allow advertisements on SF hosted websites (without their > approval at least...) That was my feeling. And that SF policy is qui

[Jmol-developers] quotes when changing language from script

2008-01-17 Thread Angel Herraez
Although I cannot find the original posts, I think we discussed this already and it was being fixed. I find it is not (11.4.RC1). Changing the interface language from a script language = en does not work unless I enclose the language code in double quotes Is it supposed to be so? The doc do

[Jmol-developers] (Fwd) Re: Jmol Handbook

2008-01-17 Thread Angel Herraez
Hi all Today Noel Boyle suggested that I advertise my book in Jmol website. I had not dared thinking of it (I did put it in the Wiki), but you can give your opinion. I will accept a "better don't do it" without trouble. Here's Noel's reasoning: --- Forwarded message follows --- You sh

Re: [Jmol-developers] About multiple model selection

2008-01-16 Thread Angel Herraez
> If i upload three model and i want to view only first and third > model. so in jmol it is option of one model or all model. so can u > tell how to choose model of user choice. You need frame all (which will activate viewing all models at the same time) and then display 1.0, 3.0 which

Re: [Jmol-developers] Integration of protein sequence and 3D structure

2008-01-15 Thread Angel Herraez
Emily, I'm not sure, but check out Eric Martz's work on "FirstGlance in Jmol". I seem to remember he implemented sequence selection and highlighting: http://firstglance.jmol.org If not, maybe somebody else has done it and that's why I remember. In any case, it's a question of sitting down and i

Re: [Jmol-developers] About multiple model

2008-01-09 Thread Angel Herraez
»»»JIJI«««.: wrote: > Dear all, > > can anyone suggest the command to se for multiple files to upload This is a topic more adequate for Jmol-users list. You can see this in the scripting documentation. To load several files, you use load "file1.pdb" "file2.pdb" "file3.mol" or you can loa

Re: [Jmol-developers] Switching from 10.00 to 11.2.14

2007-12-22 Thread Angel Herraez
On 21 Dec 2007 at 13:11, Emily Heureux wrote: > The jmol looks like it is starting. I see the purple "Jmol" at the top, and > at the bottom of the browser, it says, "Applet jmolApplet0 started". It > stays that way, so there is an empty black box on the screen. If I > right-click to use the jmo

Re: [Jmol-developers] Switching from 10.00 to 11.2.14

2007-12-21 Thread Angel Herraez
Hi Emily I do not envisage any effect of Jmol version. Can you say precisely what is not working? Do you see the applet? Any errors in the Java console or Javascript errors? Are you testing the page from hard disk or from web server?

Re: [Jmol-developers] Security exception due to popup

2007-12-17 Thread Angel Herraez
The technicalities of Java are beyond my reach, but I think until this is solved we should alert users about compatibility. If any of you can provide a description, I will add it to the website and Wiki. For example, along the terms of "you need Java JVM version 1.4 or later (v1.5, v5, v6), but

Re: [Jmol-developers] 11.4 closer

2007-12-04 Thread Angel Herraez
OK, so I thnik I just caught a bug 11.3.52 I was testing (applet) some measurements and issued set monitor 0.3 I couldn't see them. So, I opened the application and tested on a small molecule: As soon as I give a thickness for monitor lines, the line is drawn but does not follow the mode

Re: [Jmol-developers] 11.4 closer

2007-12-04 Thread Angel Herraez
El 3 Dec 2007 a las 20:59, Bob Hanson escribió: > How are others feeling? Should we shoot for Dec. 15 for a release of 11.4? I think that's OK. > Probably should get as much translation done as we can. I don't think > I've added anything particular in that regard recently, but it wouldn't > be

Re: [Jmol-developers] newbie question

2007-11-28 Thread Angel Herraez
On 28 Nov 2007 at 10:16, Anubhav Jain wrote: > > Yes, I think the new link scheme is probably the problem.Here are some of the > sites with the > wrong link: > > http://wiki.jmol.org/index.php/Applications_Embedding_Jmol This is under my control (in fact, under any of you, since the Wiki is o

Re: [Jmol-developers] newbie question

2007-11-28 Thread Angel Herraez
Anubhav, if you can point at where the wrong links are, I may be able to fix them (if they are in Jmol website). SF changed their URL scheme with no warning, from svn.sourceforge etc. to jmol.svn.sourceforge etc -- It may be that. El 27 Nov 2007 a las 22:39, Bob Hanson escribió: > there must b

Re: [Jmol-developers] [ jmol-Feature Requests-1829526 ] label on top of renderings

2007-11-20 Thread Angel Herraez
> >Comment By: Bob Hanson (hansonr) > set spacefill 200%;color translucent 1 Sorry, what is "set spacefill" supposed to do? Does it compare to "spacefill 200%"? - This SF.net email is sponsored by: Microsoft Defy all chall

Re: [Jmol-developers] Notice of withdrawal (temporary, I hope) from the Jmol project...

2007-11-13 Thread Angel Herraez
Dear Jonathan: I understand completely your situation, as it is the same around here. Fortunately for me, even if I don't get official credit for participating on these activities, at least I am not punished! If you can think of any way we could support your cause, please let us know. I would

Re: [Jmol-developers] width of left-mouse menu dependent on structure title

2007-11-06 Thread Angel Herraez
I think that's a sensible proposal El 6 Nov 2007 a las 11:33, pim schravendijk escribió: > Is this desirable? I guess not! I suggest a maximum width of the main > left-mouse menu, cutting off the title part that surpasses this > width, and putting the full title in the submenu directly at the

[Jmol-developers] Jmol Blog (was: Re: matte isosurfaces in povray output

2007-10-31 Thread Angel Herraez
This in an interesting proposal, Egon, but we should careully design what will go there. There is already the Wiki, where anyone can contribute, and having 3-4 places where to look for info is not good for users... > The blog could contain announcements of: > * new websites using Jmol **

Re: [Jmol-developers] Need testers

2007-10-02 Thread Angel Herraez
El 2 Oct 2007 a las 11:49, Jonathan Gutow escribió: > Nico, > I'm getting a file not found error for all of the downloads. Is the > file not up yet? Me too. - This SF.net email is sponsored by: Microsoft Defy all c

Re: [Jmol-developers] Jmol Exporter class

2007-09-21 Thread Angel Herraez
> This is going to look good: > http://www.molmod.com/~schraven/jmolscreenshot.jpg > http://www.molmod.com/~schraven/povrayscreenshot.jpg Hey, Pim, that looks gorgeous! Good work! - This SF.net email is sponsored by: Microso

Re: [Jmol-developers] drawing ribbons

2007-07-22 Thread Angel Herraez
Bob wrote: > Neither of these solutions is impossible. I propose we implement the > second -- a ribbon associated with carbohydrates. Jmol already identifies > chains of carbohydrates and can show a trace through the anomeric carbon > atoms. Wow, I didn't know that ribbons were already implement

[Jmol-developers] drawing ribbons

2007-07-21 Thread Angel Herraez
We've been trying to model the helix trajectory of an amylose chain. I've achieved a nice helical rope using "draw curve" command. Given that its aspect is closely similar to what is rendered by "trace" in proteins, I wonder how difficult it would be to implement "draw" building some kind of

Re: [Jmol-developers] Mac standalone

2007-07-02 Thread Angel Herraez
Hello Fernanda This looks interesting for other users (I don't use a Mac). If you could write brief instructions of how to use it, I can add it to the Wiki page devoted to icons and so: http://wiki.jmol.org:81/index.php/Recycling_Corner and to the app section http://wiki.jmol.org:81/index.php/Jmo

Re: [Jmol-developers] Partial Charges

2007-06-27 Thread Angel Herraez
On 26 Jun 2007 at 19:32, David Kim wrote: > Is there a function where Jmol can display the parital charges of a molecule. Yes indeed, as long as the file format provides it. No calculation possible. > If so, what type of file > and calculation would have to be run for it to be able to show(i.e

Re: [Jmol-developers] distance restraints in Jmol?

2007-06-22 Thread Angel Herraez
Hi Kent Your description fits perfectly with using "monitor" lines (a.k.a. measurements). > So when there's a distance > restraint between two atoms we'd like to show this with a line that's > dashed, or a different color, or something like that. If your know the atom numeric IDs, just use:

Re: [Jmol-developers] Help with Jmol

2007-06-05 Thread Angel Herraez
write to me directly. Good luck · Dr. Angel Herraez Dep. Bioquimica y Biologia Molecular, Universidad de Alcala E-28871 Alcala de Henares (Madrid), Spain - This SF.net email is sponsored by DB2 Express Download DB2 E

Re: [Jmol-developers] help on removing a commit

2007-05-13 Thread Angel Herraez
> $ LANG=C svn proplist --verbose Jmol/appletweb > Properties on 'Jmol/appletweb': > svn:ignore : Copia de Jmol.js > > You added "Copia de Jmol.js" to the svn:ignore property of the > trunk/Jmol/appletweb directory. I removed it with the last commit. Thanks, Daniel, for fixing it. That's someth

Re: [Jmol-developers] [Jmol-commits] SF.net SVN: jmol: [7682] trunk/Jmol

2007-05-13 Thread Angel Herraez
Daniel Leidert wrote: > I would call it README.es.txt or users will loose the overview, which > file contains which information when "README", "COPYING", ... filenames > are translated too. For consistency I would only add only a language > code to the filename, if you translate the content. > >

Re: [Jmol-developers] help on removing a commit

2007-05-13 Thread Angel Herraez
Thanks all for the advice but I'm not using command-line access to SVN, nor Eclipse. I use TortoiseSVN, which for me is intuitive, and does nicely the job of updating and committing changes; I have Eclipse installed, but can't get hold of how it works; just use it for building jmol-web locally

[Jmol-developers] help on removing a commit

2007-05-13 Thread Angel Herraez
Dear developers: I just accidentally comitted some update arising from a conflict between the copy at SF and the local one at my computer. It is labeled as 7683 I don't know how to cancel that at SF and bring the system back to 7682 Thanks for any fix or advice ---

Re: [Jmol-developers] [Jmol-users] pt-br translation

2007-05-12 Thread Angel Herraez
On 12 May 2007 at 17:00, Daniel Leidert wrote: [big snip] > So I guess > (but don't know it for sure) you cannot assume, la = la_LA (this might > be the case for German, but it's not a must). It is not. The more evident example is English, but there are many. ---

Re: [Jmol-developers] GUI

2007-05-11 Thread Angel Herraez
Hello Lam The scripting language is certainly much more powerful than anything, but the pop-up menu has many of those features. The top menu bar in Jmol is very limited, and only needed for file operations. The reason for this is that the pop-up menu is shared by the application and the applet

Re: [Jmol-developers] [Jmol-users] 11.1.36

2007-05-09 Thread Angel Herraez
Very good, Bob I'm intercalating some suggestions: > Executive Summary > > If you are a typical Jmol user, just transfer the JmolApplet0*.jar files ## add this to clarify the asterisk (either not understood by non- MSDOS people or plain unnoticed for its small size) ## (th

Re: [Jmol-developers] [Jmol-users] pt-br translation

2007-05-08 Thread Angel Herraez
> Here's what I'd like to know: What are the assumed country codes for the > following, if there is such? > > {"ca", GT._("Catalan")}, > {"cs", GT._("Czech")}, > {"nl", GT._("Dutch")}, > {"et", GT._("Estonian")}, > {"fr", GT._("French")}, > {"de", GT._("German")}, > {"

[Jmol-developers] error on surface translucency from the pop-up menu

2007-05-07 Thread Angel Herraez
On 11.1.34, after loading an isosurface from a button in the page, I tried the pop-up menu options Surfaces > Make Opaque Surfaces > Make Translucent and nothing happens; with the console open, an error is shown. Surfaces > Off works OK, removing the surface These are

Re: [Jmol-developers] [Jmol-users] language menu

2007-05-07 Thread Angel Herraez
I've just downloaded 11.1.34 from SF and both the applet and the app work correctly when switching languages. Opening, the default locale is shown (es). I can switch back and forth between languages and the whole menu changes correctly. Also, the full menu is active. The language setting is persi

Re: [Jmol-developers] Today in Jmol -- faster applet loading

2007-04-30 Thread Angel Herraez
Bob, I'm back at home before than expected, so I can work on Jmol.js Please, let me know what needs to be done, whenever it's convenient to your flow of improvements. - This SF.net email is sponsored by DB2 Express Downloa

Re: [Jmol-developers] Today in Jmol -- faster applet loading

2007-04-27 Thread Angel Herraez
Bob, that sounds like a VERY interesting capability. The only thing why I miss Chime is the loading speed. > 2) By setting debug="off" we reduce the size of the overall package by >about 30%. That in itself is considerable. Indeed! >jmolSetFileTypes("xyz,mol,cif,pdb") I think this is

Re: [Jmol-developers] PDB Atom Set Classification

2007-04-26 Thread Angel Herraez
Hello Ajay > The following is a snippet of code from JmolConstants.java > > 2424 //"@hetero", handled specially > > I'd like to know how hetero molecules and "non solvents" are handled. I can't help on that details, but based on the pop-up menu options, I would say it is based on HETA

Re: [Jmol-developers] color by external file parameters

2007-04-25 Thread Angel Herraez
Hi Samuel Tricky business, but very satisfying. Basically, what you need is "isosurface" http://www.stolaf.edu/academics/chemapps/jmol/docs/?ver=11.1#isosurface Look particularly for the options "colorscheme", "map" --I'm still not proficient on those. The rest depends on what is the format of

Re: [Jmol-developers] PDB Atom Set Classification

2007-04-25 Thread Angel Herraez
Hello Ajay > http://wiki.jmol.org:81/index.php/AtomSets As I wrote most of the page you cite, I'll try to answer first. (although that info is collected from other places, not invented or written by me) > I'm curious as to how jmol goes about classifying hetero atoms into various > atom sets

Re: [Jmol-developers] [Jmol-users] page design: flexible size, scrollable, no frames

2007-04-24 Thread Angel Herraez
El 24 Apr 2007 a las 8:55, Bob Hanson escribió: > Angel Herraez wrote: > > >> also be included in 11.0.2 when it is released. > > I think that will be 11.2 No, I meant 11.0.2. I understand that there are some fixes in 11.0 branch that have not been released yet, so I ad

[Jmol-developers] using model / frame with nonexisting model nrs.

2007-04-17 Thread Angel Herraez
I have a PDB file with 2 models (named 1 and 2). Issuing "model 0" "model 3" "model 4" shows all models. (Same with "frame") The zero case could be accepted --although I prefer "all"--, but I find that accepting nonexisting frame nrs. is misguiding and inconvenient. I see this as a bug. Can it be

Re: [Jmol-developers] Jmol 11 java 1.1 compliant applet?

2007-04-17 Thread Angel Herraez
Don't know if this will be of help, but in my system (WinXPsp2, up-to- date with Java), Netscape 4.7 about:plugins says: File name: C:\Program files\Netscape\Communicator\Program\plugins\NPOJI610.dll Java Plug-in 1.4.2_12 for Netscape Navigator (DLL Helper) So, it seems to me that later ver

[Jmol-developers] model selection is partially broken in 11.1.27

2007-04-11 Thread Angel Herraez
After loading 2 files, Jmol 11.0 accepts "select model=1001" or "select model=2001" as well as "select */1001" or "select */2001" However, 11.1.27 does not select anything with "select model=1001" or "select model=2001" or "select model=1.0" or "select model=2.0" but works OK with

Re: [Jmol-developers] spin axisangle

2007-04-11 Thread Angel Herraez
ried to write a more detailed description. Comments are welcome. Once it is complete, I think it should go in some of the documentation pages. I still don't know how to edit the Jmol Guide pages in SVN. · Dr. Angel Herraez Dep. Bioquimica y Biologia Molecular, Univ

Re: [Jmol-developers] spin axisangle

2007-04-11 Thread Angel Herraez
Thanks, René It seems you are right: axisangle uses the viewport coordinates, not the molecular coordinates. I understood the opposite from the documentation. Is that right, Bob? I find this disconcerting; I thought the {x y z} syntax was molecular coordinates. Maybe this is because rotate A

[Jmol-developers] spin axisangle

2007-04-11 Thread Angel Herraez
Hello I'm investigating the variety of new rotate/spin options using molecular axes. Shouldn't spin axisangle {2.312 1.192 6.993} 10 do the same as spin 10 {0 0 0} {2.312 1.192 6.993} ? I am getting a completely different axis of rotation with the first. See http://biomodel.uah.es/pruebas/jmo

Re: [Jmol-developers] [Fwd: jmol failed to open a valid gaussianinput file]

2007-04-11 Thread Angel Herraez
El 10 Apr 2007 a las 17:24, Bob Hanson escribió: > output files, not input files. Do we say we can read Gaussian input files? No. This is what we have: Jmol website, home page: "Gaussian 94/98/03 output" Jmol Guide: "Gaussian 92/94/98" ***not very clear*** Jmol Wiki: "Gaussian input, output an

Re: [Jmol-developers] Unsigned Applet and Write to Clipboard

2007-04-09 Thread Angel Herraez
On 1 Apr 2007 at 19:02, Julie Mitchell wrote: [snip] > Alternately, I am unable to get the jmolAppletSigned to load. > The exact same code calling jmolApplet works just fine, but > I cannot get the signed version. Is there some magic extra > chant? I don't see much documentation for the signed

[Jmol-developers] update of Jmol.js and of website menu

2007-03-26 Thread Angel Herraez
Hi Bob and others 1. I don't see it in jmol-commits yet, so I'd better warn you. Last night I commited a fix for Jmol.js, related to using percent applet sizes or pixel sizes. After Bob's last fix, there were still things preventing some browsers to show applet or raising errors, so I went thor

Re: [Jmol-developers] news update

2007-03-23 Thread Angel Herraez
On 23 Mar 2007 at 13:40, Bob Hanson wrote: > Little know page, I think: > > http://sourceforge.net/news/?group_id=23629 Yeah, I didn't know about that. You want just a link to that exact page, right? I'll do it. > I think it's a nice place to highlight the new features. I'm imagining > "News"

Re: [Jmol-developers] zoomLarge

2007-03-23 Thread Angel Herraez
> My problem: First, this change has always bugged me. I didn't understand > the rationale then, and I can't remember it now. I don't see why anyone > would one ever want the molecule to automatically be larger than the > window in one dimension. I hope I can summarize my viewpoint in favour o

Re: [Jmol-developers] please test

2007-03-23 Thread Angel Herraez
Mostly I think that zoomLarge true is adequate; if one has a narrow, long molecule and sets a wide rectangular Jmol panel, one wants it to be used (as it has happened to me with DNA). What I don't see is why a change in applet size won't affect equally in both cases (no need to further comment

Re: [Jmol-developers] news update

2007-03-23 Thread Angel Herraez
I'm not sure, but I guess I should be able to do the update; will try later. Where's exactly the news you have updated? - Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll

Re: [Jmol-developers] please test

2007-03-23 Thread Angel Herraez
El 22 Mar 2007 a las 14:35, Bob Hanson escribió: > ah, yes. That's item #41 -- use of unicode I just added. The lesson is Works correctly now in IE7, IE6, IE5.5 -WinXP There is, however, a minor thing (irrespective of browser): translation of the model is not reproduced. If I move the model

Re: [Jmol-developers] please test

2007-03-22 Thread Angel Herraez
Hi Bob > http://www.stolaf.edu/academics/chemapps/jmol/docs/examples-11/new1.htm This page does not open in IE7 WinXP: blank page, javascript complain: 'model' is not defined', line 198 (I wouldn't trust too much the line number given) Same in IE6; MS script editor says: "an hexadecimal d

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